1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C16H22F3N5O — CID 133419570

IUPAC1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C16H22F3N5O/c1-12(15(25)24-6-2-3-7-24)22-8-10-23(11-9-22)14-5-4-13(20-21-14)16(17,18)19/h4-5,12H,2-3,6-11H2,1H3
InChIKeyVTXFYHAVRIZKTL-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.63
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one

1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 133419570) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID133419570
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC Name1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C16H22F3N5O/c1-12(15(25)24-6-2-3-7-24)22-8-10-23(11-9-22)14-5-4-13(20-21-14)16(17,18)19/h4-5,12H,2-3,6-11H2,1H3
InChIKeyVTXFYHAVRIZKTL-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 133433606
2-methyl-2-phenyl-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 133433624
(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
CID 125157813
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
2-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
1-(azepan-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 46631714
(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 9288306
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512523
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
1-(azepan-1-yl)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 162670648
(2S)-1-pyrrolidin-1-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 124756386
(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 133419570) is 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CC(C(=O)N1CCCC1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is VTXFYHAVRIZKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-12(15(25)24-6-2-3-7-24)22-8-10-23(11-9-22)14-5-4-13(20-21-14)16(17,18)19/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 357.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133419570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).